SCHEMBL14766562

SCHEMBL14766562

CCOc1ccc(-c2ccc(C3CCC(/C=C/c4ccc(OCC)c(F)c4)CC3)c(F)c2F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 3/20 0.38
FFAR1 O14842 4/20 0.35
PPARD Q03181 3/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
TNFRSF1A P19438 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33
FFAR4 Q5NUL3 2/20 0.33
KDM1A O60341 2/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
FPR2 P25090 2/20 0.32
NAAA Q02083 1/20 0.32
MAPT P10636 1/20 0.31
TUBB4A P04350 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14766791 0.95 TUBB1 (0.35) TUBB1FFAR1PPARDPPARGPPARA
SCHEMBL13586272 0.94 TUBB1 (0.41) TUBB1FFAR1PPARDPPARGPPARA
SCHEMBL14766503 0.93 GYS1 (0.34) TUBB1FFAR1PPARDPPARGPPARA
SCHEMBL12739242 0.93 TUBB1 (0.38) TUBB1TNFRSF1AKMT2AKDM1AKDM4E
SCHEMBL12739228 0.92 TUBB1 (0.37) TUBB1FFAR1PPARDPPARGPPARA
SCHEMBL12739238 0.92 TUBB1 (0.37) TUBB1TNFRSF1AKMT2AKDM1AKDM4E
SCHEMBL12739236 0.92 TUBB1 (0.37) TUBB1TNFRSF1AKMT2AKDM1AKDM4E
SCHEMBL14766331 0.92 MEN1 (0.32) TUBB1FFAR1PPARDPPARGPPARA
SCHEMBL12739241 0.91 TUBB1 (0.36) TUBB1FFAR1PPARDPPARGPPARA
SCHEMBL14766482 0.91 AHR (0.33) FFAR1MEN1KMT2APOLBFFAR4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 US disclosed